2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one

C17H19N5O3 — CID 136925384

IUPAC2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one
SMILESNc1c(-c2nc3ccccc3c(=O)[nH]2)c(C2CCCO2)nn1CCO
InChIInChI=1S/C17H19N5O3/c18-15-13(14(12-6-3-9-25-12)21-22(15)7-8-23)16-19-11-5-2-1-4-10(11)17(24)20-16/h1-2,4-5,12,23H,3,6-9,18H2,(H,19,20,24)
InChIKeyQDUIHHGBYODZSI-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.21
Rot. Bonds4

About 2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one

2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one (PubChem CID 136925384) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one
PubChem CID136925384
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one
SMILESNc1c(-c2nc3ccccc3c(=O)[nH]2)c(C2CCCO2)nn1CCO
InChIInChI=1S/C17H19N5O3/c18-15-13(14(12-6-3-9-25-12)21-22(15)7-8-23)16-19-11-5-2-1-4-10(11)17(24)20-16/h1-2,4-5,12,23H,3,6-9,18H2,(H,19,20,24)
InChIKeyQDUIHHGBYODZSI-UHFFFAOYSA-N
XLogP1.21
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-amino-1-(2-hydroxyethyl)-3-propylpyrazol-4-yl]-3H-quinazolin-4-one
CID 136925369
6-amino-5-(oxolan-2-ylmethyl)-7-(4-oxo-3H-quinazolin-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 135458545
2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one
CID 136925309
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one
CID 137099765
2-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]amino]-3H-quinazolin-4-one
CID 136747997
2-[[oxolan-2-ylmethyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]-3H-quinazolin-4-one
CID 135928644
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenoxyacetamide
CID 135830344
oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 137300052
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135808114
N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135636952
4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135629187

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one (CID 136925384) is 2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one is Nc1c(-c2nc3ccccc3c(=O)[nH]2)c(C2CCCO2)nn1CCO.
What is the InChIKey of 2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one?
The InChIKey is QDUIHHGBYODZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c18-15-13(14(12-6-3-9-25-12)21-22(15)7-8-23)16-19-11-5-2-1-4-10(11)17(24)20-16/h1-2,4-5,12,23H,3,6-9,18H2,(H,19,20,24).
What are the key properties of 2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one?
2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one has a molecular weight of 341.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-1-(2-hydroxyethyl)-3-(oxolan-2-yl)pyrazol-4-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136925384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).